CCL:G: Field keyword: Gaussian 09



 Sent to CCL by: Geoffrey Hutchison [geoffh%pitt.edu]
 On Mar 28, 2012, at 7:12 AM, Avik Sanyal avik.sanyal-.-aci.uni-heidelberg.de
 wrote:
 > I am unable to figure out how to specify an octahedral field (simulating
 the situation where a central atom is surrounded by six point charges in an
 octahedral geometry) in the above format. Any help will be appreciated.
 You don't want the field keyword, you want to add point charges:
 http://www.gaussian.com/g_tech/g_ur/k_charge.htm
 Hope that helps,
 -Geoff
 ---
 Prof. Geoffrey Hutchison
 Department of Chemistry
 University of Pittsburgh
 tel: (412) 648-0492
 email: geoffh:_:pitt.edu
 web: http://hutchison.chem.pitt.edu/